data_AVS_bmrb_pdb_report_5480 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 5480 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 5480 1 1 1 1 24 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5480 1 1 1 1 97 ASN Anomalous Consistent Consistent Consistent Anomalous Consistent . . 5480 1 1 1 1 133 ASP Anomalous Consistent Consistent Consistent Anomalous Consistent . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 5480 1 1 1 1 24 ASP C 177.500 . 176.41 1.77 5.3801e-01 5480 1 1 1 1 24 ASP CA 53.500 . 54.52 2.1 6.2717e-01 5480 1 1 1 1 24 ASP CB 40.320 . 40.7 1.67 8.2000e-01 5480 1 1 1 1 24 ASP CG 182.100 M 178.41 1.84 4.4917e-02 5480 1 1 1 1 24 ASP H 8.384 . 8.33 0.57 9.2452e-01 5480 1 1 1 1 24 ASP HA 4.460 . 4.61 0.31 6.2848e-01 5480 1 1 1 1 24 ASP HB2 2.390 . 2.74 0.29 2.2747e-01 5480 1 1 1 1 24 ASP HB3 2.990 . 2.7 0.29 3.1731e-01 5480 1 1 1 1 24 ASP N 120.410 . 120.73 4.2 9.3927e-01 5480 1 1 1 1 97 ASN C 176.300 . 175.16 1.76 5.1716e-01 5480 1 1 1 1 97 ASN CA 52.480 . 53.43 1.94 6.2435e-01 5480 1 1 1 1 97 ASN CB 38.140 . 38.66 1.78 7.7018e-01 5480 1 1 1 1 97 ASN CG 179.900 M 176.61 1.33 1.3373e-02 5480 1 1 1 1 97 ASN H 8.314 . 8.37 0.65 9.3134e-01 5480 1 1 1 1 97 ASN HA 4.610 . 4.7 0.39 8.1749e-01 5480 1 1 1 1 97 ASN HB2 3.360 . 2.8 0.34 9.9546e-02 5480 1 1 1 1 97 ASN HB3 2.610 . 2.78 0.34 6.1707e-01 5480 1 1 1 1 97 ASN HD21 7.965 . 7.27 0.52 1.8137e-01 5480 1 1 1 1 97 ASN HD22 7.321 . 7.2 0.52 8.1600e-01 5480 1 1 1 1 97 ASN N 119.220 . 119.13 4.42 9.8375e-01 5480 1 1 1 1 97 ASN ND2 116.370 . 112.83 2.6 1.7334e-01 5480 1 1 1 1 133 ASP C 177.600 . 176.41 1.77 5.0138e-01 5480 1 1 1 1 133 ASP CA 53.600 . 54.52 2.1 6.6132e-01 5480 1 1 1 1 133 ASP CB 40.100 . 40.7 1.67 7.1938e-01 5480 1 1 1 1 133 ASP CG 182.500 M 178.41 1.84 2.6228e-02 5480 1 1 1 1 133 ASP H 8.283 . 8.33 0.57 9.3428e-01 5480 1 1 1 1 133 ASP HA 4.410 . 4.61 0.31 5.1882e-01 5480 1 1 1 1 133 ASP HB2 2.470 . 2.74 0.29 3.5184e-01 5480 1 1 1 1 133 ASP HB3 2.940 . 2.7 0.29 4.0791e-01 5480 1 1 1 1 133 ASP N 120.147 . 120.73 4.2 8.8960e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 5480 1 1 1 1 24 ASP ASP 0.95 5480 1 1 1 1 24 ASP GLU 0.04 5480 1 1 1 1 97 ASN ASP 0.66 5480 1 1 1 1 97 ASN ASN 0.23 5480 1 1 1 1 97 ASN GLU 0.1 5480 1 1 1 1 133 ASP ASP 0.9 5480 1 1 1 1 133 ASP GLU 0.08 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 5480 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 5480 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 5480 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 5480 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 5480 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_